Aasish Kumar Sharma

Aasish Kumar Sharma, Felix Stein, Mirac Aydin et al.

This paper presents the DECICE project (Device Edge Cloud Intelligent Collaboration framEwork), a Horizon Europe Research and Innovation Action (Grant No. 101092582, December 2022 to November 2025) that developed an open-source framework for intelligent workload scheduling across the cloud-HPC-edge compute continuum. A consortium of 12 partners across 6 European countries organized the work into six work packages covering AI-driven scheduling, digital twin infrastructure, system architecture and integration, monitoring, use case validation, and dissemination. The two core technical contributions are an Integrated AI Scheduler (IAIS) employing RNN-based prediction and formal workflow modeling for constraint-aware workload mapping, and a Digital Twin aggregating real-time metrics with carbon intensity and anomaly prediction for energy-aware scheduling. The framework operates within Kubernetes environments, supports unified workflow ingestion from multiple formats, and bridges cloud-native and HPC orchestration through a Slurm integration layer. We present the project vision, the overall architecture, contributions from each work package, quantitative evaluation results, and the open-source release.

Aasish Kumar Sharma, Julian M. Kunkel

AI-enabled services deployed in critical digital infrastructure are subject to governance obligations spanning transparency, accountability, fairness, and traceability. Compliance today remains documentation-centric: obligations are described in prose, audits rely on static checklists, and verification depends on manual review. Such approaches do not scale to automated AI systems. This paper introduces Ontological Knowledge Blocks (OKBs), a programmable governance infrastructure that compiles regulatory obligations into machine-checkable constraints over structured evidence graphs. We formalize an OKB as a 5-tuple that binds normative obligations to an RDF/OWL concept schema, executable SHACL validation rules, explicit evidence requirements, and PROV-O provenance links. A deterministic regulatory compiler translates structured Intermediate Representation (IR) records into composable KB modules, enabling profile-based governance reconfiguration without modifying service code. We implement two prototypes and evaluate them in an AI-assisted HPC resource allocation scenario across 24 validation runs and four governance profiles. Results demonstrate profile-sensitive validation, strictly additive violation accumulation, SHACL validation latency between 12.6 ms and 100.3 ms, and profile equivalence testing confirming Combined as the strictly most comprehensive profile. All artefacts are released as open source.

Aasish Kumar Sharma, Christian Boehme, Julian Kunkel

Heterogeneous HPC workflow scheduling under multiple hard constraints poses a challenging combinatorial optimization problem. Classical exact solvers guarantee optimality but face scalability limits, motivating interest in quantum-inspired Quadratic Unconstrained Binary Optimization (QUBO) as an alternative optimization paradigm. This work presents a systematic empirical evaluation of QUBO-based scheduling methods against classical baselines including MILP, CP-SAT, GA, and HEFT. We evaluate three QUBO variants, single-run simulated annealing, multi-attempt annealing, and a layered QAOA-inspired schedule, with hybrid enhancement strategies on validation workflows (3-4 tasks) and synthetic scaling instances (5-20 tasks). All solvers are assessed through a unified pipeline tracking feasibility, makespan, and resource utilization under progressive constraint activation and controlled penalty sweeps. All approaches recover the expected optimal makespan on validation instances, confirming formulation correctness. However, feasibility degradation emerges for specific QUBO variants as constraint interactions intensify, particularly when communication costs are introduced. Penalty analysis reveals a sharp feasibility threshold for QUBO-SA, where insufficient penalties consistently fail and moderate-to-strong penalties restore feasibility. Scaling experiments show that classical solvers remain robust across all tested sizes, while QUBO-SA loses feasibility beyond 15 tasks and the QAOA-inspired variant beyond 10 tasks. The study provides a clear empirical characterization of the reliability boundaries of quantum-inspired QUBO formulations for HPC scheduling and identifies regimes where classical approaches remain preferable under current solver capabilities.

Julian Kunkel, Aasish Kumar Sharma, Anila Ghazanfar et al.

The IO500 benchmark has become the community standard for evaluating HPC storage system performance, yet the detailed data contained in its submission packages remains largely unexplored beyond aggregate leaderboard rankings. We present a statistical characterization of 61 IO500 submissions from four competition lists (ISC21 through SC22), examining score distributions, inter-phase correlations, and insights derived from detailed log files that accompany each submission. Our analysis reveals that IO500 scores span four orders of magnitude. Spearman correlation analysis shows strong within-domain clustering for both bandwidth (rs = 0.78 to 0.96) and metadata (rs = 0.89 to 0.98) phases, with the composite sub-scores exhibiting rs = 0.92 at per-node level (Pearson r = 0.53). Log-level analysis uncovers file-system-specific patterns in IOR close-time overhead, straggler behavior during the stonewall wear-down phase, and parallel-find load imbalance that are invisible in aggregate scores. These findings demonstrate that IO500 submission packages constitute a valuable research resource for understanding storage system behavior. The full submission dataset is publicly available at https://github.com/IO500/submission-data, and analysis scripts at https://gitlab-ce.gwdg.de/hpc-team/io500-analysis.

Aasish Kumar Sharma, Julian Kunkel

Large language models (LLMs) are increasingly explored for their reasoning capabilities, yet their ability to perform structured, constraint-based optimization from natural language remains insufficiently understood. This study evaluates twenty-one publicly available LLMs on a representative heterogeneous high-performance computing (HPC) workload mapping and scheduling problem. Each model received the same textual description of system nodes, task requirements, and scheduling constraints, and was required to assign tasks to nodes, compute the total makespan, and explain its reasoning. A manually derived analytical optimum of nine hours and twenty seconds served as the ground truth reference. Three models exactly reproduced the analytical optimum while satisfying all constraints, twelve achieved near-optimal results within two minutes of the reference, and six produced suboptimal schedules with arithmetic or dependency errors. All models generated feasible task-to-node mappings, though only about half maintained strict constraint adherence. Nineteen models produced partially executable verification code, and eighteen provided coherent step-by-step reasoning, demonstrating strong interpretability even when logical errors occurred. Overall, the results define the current capability boundary of LLM reasoning in combinatorial optimization: leading models can reconstruct optimal schedules directly from natural language, but most still struggle with precise timing, data transfer arithmetic, and dependency enforcement. These findings highlight the potential of LLMs as explainable co-pilots for optimization and decision-support tasks rather than autonomous solvers.

Aasish Kumar Sharma, Sanjeeb Prashad Pandey, Julian M. Kunkel

Convolutional Neural Networks (CNNs) are pivotal in computer vision and Big Data analytics but demand significant computational resources when trained on large-scale datasets. Conventional training via back-propagation (BP) with losses like Mean Squared Error or Cross-Entropy often requires extensive iterations and may converge sub-optimally. Quantum computing offers a promising alternative by leveraging superposition, tunneling, and entanglement to search complex optimization landscapes more efficiently. In this work, we propose a hybrid optimization method that combines an Unconstrained Binary Quadratic Programming (UBQP) formulation with Stochastic Gradient Descent (SGD) to accelerate CNN training. Evaluated on the MNIST dataset, our approach achieves a 10--15\% accuracy improvement over a standard BP-CNN baseline while maintaining similar execution times. These results illustrate the potential of hybrid quantum-classical techniques in High-Performance Computing (HPC) environments for Big Data and Deep Learning. Fully realizing these benefits, however, requires a careful alignment of algorithmic structures with underlying quantum mechanisms.

Aasish Kumar Sharma, Dimitar Kyosev, Julian Kunkel

Artificial Intelligence (AI) is transforming sectors such as healthcare, finance, and autonomous systems, offering powerful tools for innovation. Yet its rapid integration raises urgent ethical concerns related to data ownership, privacy, and systemic bias. Issues like opaque decision-making, misleading outputs, and unfair treatment in high-stakes domains underscore the need for transparent and accountable AI systems. This article addresses these challenges by proposing a modular ethical assessment framework built on ontological blocks of meaning-discrete, interpretable units that encode ethical principles such as fairness, accountability, and ownership. By integrating these blocks with FAIR (Findable, Accessible, Interoperable, Reusable) principles, the framework supports scalable, transparent, and legally aligned ethical evaluations, including compliance with the EU AI Act. Using a real-world use case in AI-powered investor profiling, the paper demonstrates how the framework enables dynamic, behavior-informed risk classification. The findings suggest that ontological blocks offer a promising path toward explainable and auditable AI ethics, though challenges remain in automation and probabilistic reasoning.